2BG1
Active site restructuring regulates ligand recognition in classA Penicillin-binding proteins (PBPs)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Collection date | 2003-06-18 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.331, 149.447, 97.976 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.2019 |
| Rwork | 0.202 |
| R-free | 0.22650 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.178 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.700 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.040 |
| Number of reflections | 56963 | |
| <I/σ(I)> | 25.6 | 4.3 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 288 | 50MM HEPES PH 7.0, 0.8M SO4(NH4)2, 2.8M NACL |
